3-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K784-6220 |
| Compound Name: | 3-({4-nitro-7-[(3-phenylpropyl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C18 H20 N4 O4 S |
| Smiles: | C(CNc1cc(c2c(c1[N+]([O-])=O)non2)SCCCc1ccccc1)CO |
| Stereo: | ACHIRAL |
| logP: | 4.485 |
| logD: | 4.485 |
| logSw: | -4.5076 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.912 |
| InChI Key: | WZUURCPZTZYWMF-UHFFFAOYSA-N |